[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate

C10H17N3O3 — CID 91297096

IUPAC[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
SMILESCc1noc([C@@H](C)OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-11-7(2)13-16-8)15-9(14)12-10(3,4)5/h6H,1-5H3,(H,12,14)/t6-/m1/s1
InChIKeyRZGGFFJOPQTQOI-ZCFIWIBFSA-N
MW227.26 g/mol
LogP1.96
Rot. Bonds2

About [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate

[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate (PubChem CID 91297096) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
PubChem CID91297096
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
SMILESCc1noc([C@@H](C)OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-11-7(2)13-16-8)15-9(14)12-10(3,4)5/h6H,1-5H3,(H,12,14)/t6-/m1/s1
InChIKeyRZGGFFJOPQTQOI-ZCFIWIBFSA-N
XLogP1.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 66277837
1-Propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211851
tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 77231286
5-(1-Methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 90326124
5-(1-Methoxyethyl)-3-methyl-1,2,4-oxadiazole
CID 90327637
Ethane;5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole
CID 144481265
[2-Carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate
CID 152711666
1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate
CID 55544569
1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl 2-ethoxyacetate
CID 60399080
1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylbutanoate
CID 60400331
2-[5-(Ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324063

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate (CID 91297096) is [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate is Cc1noc([C@@H](C)OC(=O)NC(C)(C)C)n1.
What is the InChIKey of [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate?
The InChIKey is RZGGFFJOPQTQOI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(8-11-7(2)13-16-8)15-9(14)12-10(3,4)5/h6H,1-5H3,(H,12,14)/t6-/m1/s1.
What are the key properties of [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate?
[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate has a molecular weight of 227.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 91297096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).